The drug–gene interaction database (DGIdb, www.dgidb.org) consolidates, organizes and presents drug–gene interactions and gene druggability information from papers, databases and web resources. DGIdb normalizes content from 30 disparate sources and allows for user-friendly advanced browsing, searching and filtering for ease of access through an intuitive web user interface, application programming interface (API) and public cloud-based server image. DGIdb v3.0 represents a major update of the database. Nine of the previously included 24 sources were updated. Six new resources were added, bringing the total number of sources to 30. These updates and additions of sources have cumulatively resulted in 56 309 interaction claims. This has also substantially expanded the comprehensive catalogue of druggable genes and anti-neoplastic drug–gene interactions included in the DGIdb. Along with these content updates, v3.0 has received a major overhaul of its codebase, including an updated user interface, preset interaction search filters, consolidation of interaction information into interaction groups, greatly improved search response times and upgrading the underlying web application framework. In addition, the expanded API features new endpoints which allow users to extract more detailed information about queried drugs, genes and drug–gene interactions, including listings of PubMed IDs, interaction type and other interaction metadata.

A series of peapod‐like composites with component‐controllable Co(SxSe1−x)2 nanoparticles encapsulated in porous carbon fibers is fabricated by Yu Wang and co‐workers in article number https://doi.org/10.1002/adfm.201701008. The peapod‐like structure exhibits increased exposure of active sites and improved charge and mass transport capability in electrolysis. The optimized composition Co(S0.71Se0.29)2∥Co(S0.22Se0.78)2 demonstrates a durable catalytic activity for overall water splitting.

The Drug-Gene Interaction Database (DGIdb, www.dgidb.org) consolidates, organizes, and presents drug-gene interactions and gene druggability information from papers, databases, and web resources. DGIdb normalizes content from more than thirty disparate sources and allows for user-friendly advanced browsing, searching and filtering for ease of access through an intuitive web user interface, application programming interface (API), and public cloud-based server image. DGIdb v3.0 represents a major update of the database. Nine of the previously included twenty-eight sources were updated. Six new resources were added, bringing the total number of sources to thirty-three. These updates and additions of sources have cumulatively resulted in 56,309 interaction claims. This has also substantially expanded the comprehensive catalogue of druggable genes and antineoplastic drug-gene interactions included in the DGIdb. Along with these content updates, v3.0 has received a major overhaul of its codebase, including an updated user interface, preset interaction search filters, consolidation of interaction information into interaction groups, greatly improved search response times, and upgrading the underlying web application framework. In addition, the expanded API features new endpoints which allow users to extract more detailed information about queried drugs, genes, and drug-gene interactions, including listings of PubMed IDs (PMIDs), interaction type, and other interaction metadata.

Identification of neoantigens is a critical step in predicting response to checkpoint blockade therapy and design of personalized cancer vaccines. This is a cross-disciplinary challenge, involving genomics, proteomics, immunology, and computational approaches. We have built a computational framework called pVACtools that, when paired with a well-established genomics pipeline, produces an end-to-end solution for neoantigen characterization. pVACtools supports identification of altered peptides from different mechanisms, including point mutations, inframe and frameshift insertions and deletions, and gene fusions. Prediction of peptide:MHC binding is accomplished by supporting an ensemble of MHC Class I and II binding algorithms within a framework designed to facilitate the incorporation of additional algorithms. Prioritization of predicted peptides occurs by integrating diverse data, including mutant allele expression, peptide binding affinities, and determination whether a mutation is clonal or subclonal. Interactive visualization via a Web interface allows clinical users to efficiently generate, review, and interpret results, selecting candidate peptides for individual patient vaccine designs. Additional modules support design choices needed for competing vaccine delivery approaches. One such module optimizes peptide ordering to minimize junctional epitopes in DNA vector vaccines. Downstream analysis commands for synthetic long peptide vaccines are available to assess candidates for factors that influence peptide synthesis. All of the aforementioned steps are executed via a modular workflow consisting of tools for neoantigen prediction from somatic alterations (pVACseq and pVACfuse), prioritization, and selection using a graphical Web-based interface (pVACviz), and design of DNA vector-based vaccines (pVACvector) and synthetic long peptide vaccines. pVACtools is available at http://www.pvactools.org.

properties as well as high activities. [4] However, its catalytic performance does not come up to expectations. In recent years, extensive efforts have been devoted to enhancing the catalytic performance, including decreasing the size, creating defects and doping heteroatoms. [5] Generally, the HER performance mainly relies on the intrinsic properties of catalysts. Therefore, regulating intrinsic electronic/ phase structure seems the effective strategy for highly activity catalyst. [6] To our knowledge, there are two different crystalline phases of MoS 2 based on the various arrangement of the sulphur atom. The common 2H phase (trigonal prismatic structure) possesses semiconductor property with a tunable bandgap between 1.3-1.9 eV, while the 1T phase (octahedral structure) is a metallic conductor with 10 7 times higher electrical conductivity than a 2H phase. [7] Therefore, 1T MoS 2 shows faster electron and charge injection/transfer, leading to superior catalytic activities. Furthermore, owing to the increased active sites on both basal surfaces and edges, 1T MoS 2 exhibits outstanding HER performance. [8] Unfortunately, IT phase cannot be explored from natural mines and it is difficult to get a high-yield production. [9] To date, several strategies have been developed to fabricate metallic-phase MoS 2 , including electron-beam irradiation, [10] chemical alkali metal intercalation, [11] plasma electron transfer, [12] flux method, [13] and phase-controlled synthesis. [14] However, the 1T phase is thermodynamically metastable and can be easily converted into stable 2H MoS 2. [15] Thus, a possible solution to fabricate stable 1T MoS 2 is urgently desired. In recent years, it has been reported that 1 T MoS 2 can be transformed from the 2H phase under the condition of light irradiation, electron beam, metal doping and heterointerface. [16] Particularly, the heterointerface-induced strategy is more desirable to achieve phase conversion owing to the moderate condition and high conversion rate. As we know, heterostructure can trigger a spontaneous electron transfer in the interface, which can tune the electro state of the two contacted components and optimize catalytic activities, leading to high catalytic performance. [17] More specifically, the catalytic activity can also be adjusted by lattice strain engineering and electron injection in the interface. [18] Therefore, heterostructure, with numerous exposed interfaces can not only modify the electro state but also increase the active sites for high-quality HER. However, there still remains a great challenge to fabricate 1T MoS 2 based Metallic phase (1T) MoS 2 has been regarded as an appealing material for hydrogen evolution reaction. In this work, a novel interface-induced strategy is reported to achieve stable and high-percentage 1T MoS 2 through highly active 1T-MoS 2 /CoS 2 hetero-nanostructure. Herein, a large number of heterointerfaces can be obtained by interlinked 1T-MoS 2 and CoS 2 nanosheets in situ grown from the molybdate cobalt oxide nanorod under moderat...

The development of efficient electrocatalysts with low cost and earth abundance for overall water splitting is very important in energy conversion. Although many electrocatalysts based on transition metal dichalcogenides have been developed, rational design and controllable synthesis of fine nanostructures with subtle morphologies and sequential chemical compositions related to these materials remains a challenge. This study reports a series of peapod-like composites with component-controllable Co(S x Se 1-x ) 2 nanoparticles encapsulated in carbon fibers, which are obtained by using Co(CO 3 ) 0.5 (OH)·0.11H 2 O nanowires as a precursor followed by coating carbon fiber and an adjustable sulfuration/selenylation process. Due to its increased exposure of active sites and improved charge and mass transport capability derived from the unique structure and morphology, the Co(S x Se 1-x ) 2 samples display favorable catalytic activities. It is found that Co(S 0.71 Se 0.29 ) 2 exhibits the best hydrogen evolution reaction (HER) performance and Co(S 0.22 Se 0.78 ) 2 shows the highest activity for the oxygen evolution reaction (OER). When using Co(S 0.71 Se 0.29 ) 2 as a cathode and Co(S 0.22 Se 0.78 ) 2 as an anode, it demonstrates a durable activity for overall water splitting to deliver 10 mA cm −2 at a cell voltage of 1.63 V, thus offering an attractive cost-effective earth abundant material system toward water splitting.

Nowadays, the sluggish kinetics of the oxygen evolution reaction (OER) has been a bottleneck factor in water electrolysis.

The novel Fe2P nanoparticles encapsulated in sandwichlike graphited carbon envelope nanocomposite (Fe2P/GCS) that can be first applied in hydrogen evolution reaction (HER) as well as lithium-ion batteries (LIBs) has been designed and fabricated. The unique sandwiched Fe2P/GCS is characterized with several prominent merits, including large specific surface area, nanoporous structure, excellent electronic conductivity, enhanced structural integrity and so on. All of these endow the Fe2P/GCS with brilliant electrochemical performance. When used as a HER electrocatalyst in acidic media, the harvested Fe2P/GCS demonstrates low onset overpotential and Tafel slope as well as particularly outstanding durability. Moreover, as an anode material for LIBs, the sandwiched Fe2P/GCS presents high specific capacity and excellent cyclability and rate capability. As a consequence, the acquired Fe2P/GCS is a promising material for energy applications, especially HER and LIBs.